Dataset

L-5-Oxoproline

This MassBank record with Accession MSBNK-RIKEN-PR100586 contains the MS2 mass spectrum of L-5-Oxoproline with the InChIkey ODHCTXKNWHHXJC-VKHMYHEASA-N.

Chemical Info

InChI	InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
SMILES	O=C(C1)NC(C1)C(O)=O
InChI Key	ODHCTXKNWHHXJC-VKHMYHEASA-N
Molecular Formula	C5H7NO3
Exact Mass	129.043 g/mol

Data and Resources

L-5-OxoprolineHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR100586
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:03:23.897568
MetadataModified	2025-02-09T18:39:08.997544
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
1355	Brenda
3609	Brenda
44292	Brenda
3001	Brenda
29599	Brenda
DB03088	DrugBank
HMDB0000267	Human Metabolome Database
121007	Brenda
1024	Brenda
44752	Brenda
115935	Brenda
115936	Brenda
96022	Brenda
MTBLC18183	Metabolights
ZINC000003598263	ZINC
CB9197008	ChemicalBook
MCULE-4204877494	Mcule
7405	PubChem
60019466	NMRShiftDB
PD000152	ProbesDrugs
PYROGLUTAMIC ACID	clinicaltrials
SZB83O1W42	FDA SRS
14747635	PubChem: Thomson Pharma
16891-48-8	ACToR
15910420	PubChem: Thomson Pharma
16201698	PubChem: Thomson Pharma
SCHEMBL15790	SureChEMBL
531281	eMolecules
LPYGLU	CCDC
J4.959J	Nikkaji
DTXSID6046260	EPA CompTox Dashboard
MCULE-6422141688	Mcule
HY-76082	MedChemExpress
MAGNESIUM PIDOLATE	clinicaltrials
PIDOLIC ACID	clinicaltrials
L-PYROGLUTAMIC ACID	clinicaltrials
PYROGLUTAMATE	rxnorm
MAGNESIUM PIDOLATE	rxnorm
C01879	KEGG Ligand
CHEMBL397976	ChEMBL
18183	ChEBI
PCA	PDBe
The data in this table is sourced from UniChem at EBI.